SCHEMBL2463288

SCHEMBL2463288

[CH2]c1cccc(-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
LTA4H P09960 1/20 0.47
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1334921 0.84 KCNH2 (0.59) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1464252 0.82
SCHEMBL2304871 0.80 LTA4H (0.57) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL27709556 0.79 CYP3A4 (0.60) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL31124 0.77 CYP3A4 (0.58) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL28163372 0.77 KCNH2 (0.52) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL338810 0.77 LTA4H (0.70) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1029511 0.75 HSD17B1 (0.61) KCNH2PRMT6CYP3A4CYP2C9ERN1
SCHEMBL1015792 0.75 ATAD2 (0.63) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL151253 0.75 MAPT (0.51) KCNH2PRMT6CYP2E1CYP3A4CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF KANSAS (US) 2014-08-28 US disclosed
US-8735391-B2 Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods UNIVERSITY OF KANSAS (US) 2014-05-27 US disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF NORTH CAROLINA 2010-10-07 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
US-4426524-A Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates FMC CORPORATION (US) 1984-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNH2 2040/4885PRMT6 1823/4885CYP2E1 4351/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNH2 2040/4885PRMT6 1823/4885CYP2E1 4351/4885
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRL1 KCNH2 1123/4885PRMT6 1214/4885CYP2E1 67/4885
US-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRD1 KCNH2 1581/4885PRMT6 1509/4885CYP2E1 45/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.